N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(3-nitrophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(3-nitrophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(3-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[(3-nitrophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(3-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-keto-1-(3-nitrobenzoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H33N5O5 MolecularWeight: 555.62422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-])CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-])CN

InChI

InChI=1S/C31H33N5O5/c32-18-20-6-4-7-21(14-20)19-33-30(38)23-12-13-27-26(16-23)34-29(37)17-28(22-8-2-1-3-9-22)35(27)31(39)24-10-5-11-25(15-24)36(40)41/h1-3,5,8-13,15-16,20-21,28H,4,6-7,14,17-19,32H2,(H,33,38)(H,34,37)